Multistructural hot spot characterization with FTProd

Bioinformatics - Tập 29 Số 3 - Trang 393-394 - 2013
Lane Votapka1, Rommie E. Amaro1
1Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA 92093 USA

Tóm tắt

Abstract Summary: Computational solvent fragment mapping is typically performed on a single structure of a protein to identify and characterize binding sites. However, the simultaneous analysis of several mutant structures or frames of a molecular dynamics simulation may provide more realistic detail about the behavior of the sites. Here we present a plug-in for Visual Molecular Dynamics that streamlines the comparison of the binding configurations of several FTMAP-generated structures. Availability: FTProd is a freely available and open-source plug-in that can be downloaded at http://amarolab.ucsd.edu/ftprod Contact:  [email protected] Supplementary Information:  Supplementary data are available at Bioinformatics online

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Tài liệu tham khảo

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Thông tin xuất bản

Bioinformatics

Tập 29 Số 3

393-394

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